../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner H Si AB_hP4_164_d_d a c/a z1 z2 standard 1 3.8789 1.4818119 0.67598613 0.93726379 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000